2-Fluoro-4-methoxyaniline

Base Information

• Chemical Name: 2-Fluoro-4-methoxyaniline
• CAS No.: 458-52-6
• Molecular Formula: C7H8FNO
• Molecular Weight: 141.145
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID60395989
• Nikkaji Number: J1.025.015C
• Wikidata: Q72473903
• Mol file: 458-52-6.mol

Synonyms:2-fluoro-4-methoxyaniline;458-52-6;4-amino-3-fluoroanisole;Benzenamine, 2-fluoro-4-methoxy-;2-fluoro-4-methoxybenzenamine;MFCD00047827;2-Fluoro-4-methoxyaniline;2-fluoro-4-methoxyphenylamine;2-fluoro-4-(methoxy)aniline;SCHEMBL112473;2-fluoranyl-4-methoxy-aniline;2-Fluoro-4-methoxy-phenylamine;DTXSID60395989;YWUVOJJHVFLNJA-UHFFFAOYSA-N;(2-fluoro-4-methoxy-phenyl)-amine;AMY14282;BBL104213;CL8395;STL558078;AKOS005064093;2-Fluoro-4-methoxyaniline, AldrichCPR;CS-W007366;GS-4161;PD160400;SY030541;FT-0647719;EN300-202298;A823332;F0001-1240;Z425366382

Chemical Property of 2-Fluoro-4-methoxyaniline

Chemical Property:

• Vapor Pressure: 0.284mmHg at 25°C
• Melting Point: 175°C
• Refractive Index: 1.531
• Boiling Point: 203 °C at 760 mmHg
• PKA: 3.81±0.10(Predicted)
• Flash Point: 76.6 °C
• PSA: 35.25000
• Density: 1.176g/cm³
• LogP: 1.99770
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 141.058992041
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Fluoro-4-methoxyaniline ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)N)F

Technology Process of 2-Fluoro-4-methoxyaniline

There total 15 articles about 2-Fluoro-4-methoxyaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

2-fluoro-4-methoxy-1-nitro-benzene (446-38-8) → 2-fluoro-4-(methoxy)aniline (458-52-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

Reference yield: 80.6%

tert-butyl (2-fluoro-4-methoxyphenyl)carbamate (209353-23-1) → 2-fluoro-4-(methoxy)aniline (458-52-6)

Guidance literature:

With hydrogenchloride; In methanol;

DOI:10.1002/hlca.19980810522

Reference yield: 72.0%

→ 2-fluoro-4-(methoxy)aniline (458-52-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

upstream raw materials:

2-fluoro-4-methoxy-1-nitro-benzene

tert-butyl (2-fluoro-4-methoxyphenyl)carbamate

1-(2-fluoro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole

4-methoxy-aniline

Downstream raw materials:

1-bromo-2-fluoro-4-methoxybenzene

3-fluoro-4-nitroso-anisole

1-chloro-2-fluoro-4-methoxybenzene

2-fluoro-1-iodo-4-methoxybenzene

Refernces

• 1、 Kong, Yi,Li, Shanshan,Liu, Shangde,Xie, Roujie,Yuan, Duo,Zhu, Xiong. "Synthesis and evaluation of novel and potent protease activated receptor 4 (PAR4) antagonists based on a quinazolin-4(3H)-one scaffold". supporting information. . Retrieved 2021/08/16.
• 2、 -. "Synthesis of 2 - fluoro aniline compounds of the method". Paragraph 0098; 0099; 0101; 0102; 0103. . Retrieved 2019/05/15.